For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,1'-(p-Xylylene)bis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID 6BtNXkS6SGc
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)5-7-19(17)25(23-21)11-13-1-2-14(4-3-13)12-26-20-8-6-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey LAXMQGGUEDEHNX-UHFFFAOYSA-N
Mol Weight 460.41 g/mol
Molecular Formula C22H16N6O6
Exact Mass 460.113132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DdBGkHgoD3g
Name 1,1'-(p-Xylylene)bis(5-nitro-1H-indazol-3-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N6O6
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)5-7-19(17)25(23-21)11-13-1-2-14(4-3-13)12-26-20-8-6-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey LAXMQGGUEDEHNX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 460.406 g/mol
SMILES Oc1n[n](Cc2ccc(C[n]3nc(c4cc(ccc34)[N+](=O)[O-])O)cc2)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-00lr-8950000000-86c027bc401cedf9e0c9
Source of Spectrum CMC-4-84-31
Synonyms 1,1'-(1,4-phenylenebis(methylene))bis(5-nitro-1H-indazol-3-ol) 5-Nitro-1-[[4-[(5-nitro-3-oxo-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one 5-Nitro-1-[[4-[(5-nitro-3-oxidanylidene-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one
Wiley ID 1771507